ethyl 3-[3-(4-methoxyphenyl)isoquinolin-4-yl]carbonylbenzoate

Systemtic Name: ethyl 3-[3-(4-methoxyphenyl)isoquinolin-4-yl]carbonylbenzoate Openeye Name: ethyl 3-[3-(4-methoxyphenyl)isoquinoline-4-carbonyl]benzoate CAS Name: 3-[[3-(4-methoxyphenyl)-4-isoquinolinyl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-methoxyphenyl)isoquinoline-4-carbonyl]benzoate Traditional Name: 3-[3-(4-methoxyphenyl)isoquinoline-4-carbonyl]benzoic acid ethyl ester Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=C(N=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=C(N=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H21NO4/c1-3-31-26(29)19-9-6-8-18(15-19)25(28)23-22-10-5-4-7-20(22)16-27-24(23)17-11-13-21(30-2)14-12-17/h4-16H,3H2,1-2H3